2-ethenoxy-1-(4-propylpiperazin-1-yl)prop-2-en-1-one

C12H20N2O2 — CID 143432566

IUPAC2-ethenoxy-1-(4-propylpiperazin-1-yl)prop-2-en-1-one
SMILESC=COC(=C)C(=O)N1CCN(CCC)CC1
InChIInChI=1S/C12H20N2O2/c1-4-6-13-7-9-14(10-8-13)12(15)11(3)16-5-2/h5H,2-4,6-10H2,1H3
InChIKeyUXSGJVXXVFERRU-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.21
Rot. Bonds5

About 2-ethenoxy-1-(4-propylpiperazin-1-yl)prop-2-en-1-one

2-ethenoxy-1-(4-propylpiperazin-1-yl)prop-2-en-1-one (PubChem CID 143432566) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-ethenoxy-1-(4-propylpiperazin-1-yl)prop-2-en-1-one.

Molecular Properties

Compound Name2-ethenoxy-1-(4-propylpiperazin-1-yl)prop-2-en-1-one
PubChem CID143432566
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name2-ethenoxy-1-(4-propylpiperazin-1-yl)prop-2-en-1-one
SMILESC=COC(=C)C(=O)N1CCN(CCC)CC1
InChIInChI=1S/C12H20N2O2/c1-4-6-13-7-9-14(10-8-13)12(15)11(3)16-5-2/h5H,2-4,6-10H2,1H3
InChIKeyUXSGJVXXVFERRU-UHFFFAOYSA-N
XLogP1.21
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5,6-Dihydro-1,4-dioxin-2-yl(4-ethyl-1-piperazinyl)methanone
CID 2359179
2-Methoxy-1-[4-(2-methylprop-2-enyl)piperazin-1-yl]ethanone
CID 53524567
2-ethoxy-N-methyl-N-propylacrylamide
CID 85969611
2,3-Dihydro-1,4-dioxin-5-yl-(4-ethylpiperazin-1-yl)methanone;hydrochloride
CID 16239128
1-[4-(2-Ethenoxyethyl)piperazin-1-yl]-2-methylprop-2-en-1-one
CID 20700068
1-[4-(2-Methoxyethyl)piperazin-1-yl]prop-2-en-1-one
CID 117730640
1-[4-(2-Ethoxyethyl)piperazin-1-yl]prop-2-en-1-one
CID 117730657
ethane;(Z)-2-ethoxy-1-(4-methylpiperazin-1-yl)but-2-en-1-one
CID 141954450
(Z)-2-ethoxy-1-(4-methylpiperazin-1-yl)but-2-en-1-one
CID 141954451
1-(4-Tert-butylpiperazin-1-yl)-2-ethenoxyprop-2-en-1-one
CID 142196646
Ethane;2-ethenoxy-1-(4-propylpiperazin-1-yl)prop-2-en-1-one
CID 143432565
Ethane;2-ethenoxy-1-(4-propylpiperazin-1-yl)prop-2-en-1-one
CID 143432940

Frequently Asked Questions

What is the IUPAC name of 2-ethenoxy-1-(4-propylpiperazin-1-yl)prop-2-en-1-one?
The IUPAC name of 2-ethenoxy-1-(4-propylpiperazin-1-yl)prop-2-en-1-one (CID 143432566) is 2-ethenoxy-1-(4-propylpiperazin-1-yl)prop-2-en-1-one.
What is the SMILES notation for 2-ethenoxy-1-(4-propylpiperazin-1-yl)prop-2-en-1-one?
The canonical SMILES for 2-ethenoxy-1-(4-propylpiperazin-1-yl)prop-2-en-1-one is C=COC(=C)C(=O)N1CCN(CCC)CC1.
What is the InChIKey of 2-ethenoxy-1-(4-propylpiperazin-1-yl)prop-2-en-1-one?
The InChIKey is UXSGJVXXVFERRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-4-6-13-7-9-14(10-8-13)12(15)11(3)16-5-2/h5H,2-4,6-10H2,1H3.
What are the key properties of 2-ethenoxy-1-(4-propylpiperazin-1-yl)prop-2-en-1-one?
2-ethenoxy-1-(4-propylpiperazin-1-yl)prop-2-en-1-one has a molecular weight of 224.30 g/mol, XLogP of 1.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenoxy-1-(4-propylpiperazin-1-yl)prop-2-en-1-one is sourced from PubChem (CID 143432566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).